(3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole

C19H21NO2 — CID 149396365

IUPAC(3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
SMILESC[C@@]12COc3cc(OCc4ccccc4)ccc3[C@@H]1CCN2
InChIInChI=1S/C19H21NO2/c1-19-13-22-18-11-15(21-12-14-5-3-2-4-6-14)7-8-16(18)17(19)9-10-20-19/h2-8,11,17,20H,9-10,12-13H2,1H3/t17-,19+/m0/s1
InChIKeyYONNIFKUSNFCMF-PKOBYXMFSA-N
MW295.38 g/mol
LogP3.49
Rot. Bonds3

About (3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole

(3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole (PubChem CID 149396365) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole.

Molecular Properties

Compound Name(3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
PubChem CID149396365
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
SMILESC[C@@]12COc3cc(OCc4ccccc4)ccc3[C@@H]1CCN2
InChIInChI=1S/C19H21NO2/c1-19-13-22-18-11-15(21-12-14-5-3-2-4-6-14)7-8-16(18)17(19)9-10-20-19/h2-8,11,17,20H,9-10,12-13H2,1H3/t17-,19+/m0/s1
InChIKeyYONNIFKUSNFCMF-PKOBYXMFSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The IUPAC name of (3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole (CID 149396365) is (3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole.
What is the SMILES notation for (3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The canonical SMILES for (3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole is C[C@@]12COc3cc(OCc4ccccc4)ccc3[C@@H]1CCN2.
What is the InChIKey of (3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The InChIKey is YONNIFKUSNFCMF-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19-13-22-18-11-15(21-12-14-5-3-2-4-6-14)7-8-16(18)17(19)9-10-20-19/h2-8,11,17,20H,9-10,12-13H2,1H3/t17-,19+/m0/s1.
What are the key properties of (3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
(3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole has a molecular weight of 295.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-3a-methyl-7-phenylmethoxy-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole is sourced from PubChem (CID 149396365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).